SCHEMBL16082766

SCHEMBL16082766

O=C1CCc2cc(I)ccc21

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.59
▸ CASP7 P55210 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ HSD17B1 P14061 4/20 0.52
▸ GRM5 P41594 1/20 0.49
▸ TDP2 O95551 1/20 0.47
▸ MAOB P27338 4/20 0.46
▸ MAOA P21397 3/20 0.46
▸ PRKCI P41743 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP11B1 P15538 1/20 0.45
▸ CYP11B2 P19099 1/20 0.45
▸ PBRM1 Q86U86 1/20 0.44
▸ HRH3 Q9Y5N1 3/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.41
▸ PGR P06401 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL315147 0.88 MAOA (0.61) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL23273176 0.88 MAOA (0.59) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL783721 0.84 TDP2 (0.45) CASP1CASP7HSD17B10HSD17B1TDP2
SCHEMBL10138376 0.83 PBRM1 (0.59) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL31695158 0.83 PBRM1 (0.59) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL26638890 0.80 TDP2 (0.58) CASP1CASP7HSD17B10TDP2MAOB
SCHEMBL28655414 0.77 HSD17B1 (0.78) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL5538267 0.76 CASP1 (0.61) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL31185499 0.74 MAOB (0.85) MAOBMAOAHRH3
SCHEMBL25230739 0.74 MAOB (0.85) MAOBMAOAHRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002426-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL RECURIUM IP HOLDINGS, LLC 2023-01-05 — — US disclosed
WO-2021097139-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL RECURIUM IP HOLDINGS, LLC (US) 2021-05-20 — — WO disclosed
US-10954178-B1 Synthesis of haloindenes THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2021-03-23 — — US disclosed
US-10954178-B1 Synthesis of haloindenes THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2021-03-23 — — US disclosed
WO-2020207352-A1 TRIAZINE BENZIMIDAZOLE COMPOUNDS AND MEDICAL USE THEREOF 四川科伦博泰生物医药股份有限公司 2020-10-15 — — WO disclosed
WO-2019104011-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2019-05-31 — — WO disclosed
EP-3472162-A1 HETEROARYL ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2019-04-24 — — EP disclosed
US-20160264577-A1 HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2016-09-15 — — US disclosed
US-20160264577-A1 HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2016-09-15 — — US disclosed
WO-2014144545-A2 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-09-18 — — WO disclosed
CN-101928281-A Bicyclo-substituted pyrazolone azo derivative, preparation method thereof and application thereof in medicaments SHANGHAI HENGRUI PHARM CO LTD 2010-12-29 — — CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160264577-A1 HSP90 INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P CASP1 1454/4885CASP7 1796/4885HSD17B10 2380/4885
US-20230002426-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL ADH1A, ADH1C, ADH5 CASP1 4711/4885CASP7 4080/4885HSD17B10 396/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback